Description

Book Synopsis
This text provides an introduction to the theoretical methods that are used to analyze each sort of force and provide the reader with a guide to the most appropriate method for a given problem. Examples are used to illustrate the points, and the pitfalls that a novice might encounter are outlined.

Table of Contents
Partial table of contents:

THEORETICAL FRAMEWORK.

Symmetry-Adapted Perturbation Theory of Intermolecular Interactions (K. Szalewicz & B. Jeziorski).

Basis Set Superposition Error (F. van Duijneveldt).

Theory and Computation of Vibration, Rotation and Tunneling Motions of Van der Waals Complexes and Their Spectra (A. van der Avoird, et al.).

Ab Initio Predictions of the Vibrational Spectra of Some Molecular Complexes: Comparison with Experiment (T. Ford).

Conventional and Unconventional Hydrogen-Bonded Ionic Clusters (C. Deakyne).

Protein-Ligand Interactions (G. Náray-Szabó).

Indexes.

Molecular Interactions From van der Waals to

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    A Hardback by Steve Scheiner

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      View other formats and editions of Molecular Interactions From van der Waals to by Steve Scheiner

      Publisher: John Wiley & Sons Inc
      Publication Date: 25/03/1997
      ISBN13: 9780471971542, 978-0471971542
      ISBN10: 0471971545
      Also in:
      Atomic and molecular physics Chemistry

      Description

      Book Synopsis
      This text provides an introduction to the theoretical methods that are used to analyze each sort of force and provide the reader with a guide to the most appropriate method for a given problem. Examples are used to illustrate the points, and the pitfalls that a novice might encounter are outlined.

      Table of Contents
      Partial table of contents:

      THEORETICAL FRAMEWORK.

      Symmetry-Adapted Perturbation Theory of Intermolecular Interactions (K. Szalewicz & B. Jeziorski).

      Basis Set Superposition Error (F. van Duijneveldt).

      Theory and Computation of Vibration, Rotation and Tunneling Motions of Van der Waals Complexes and Their Spectra (A. van der Avoird, et al.).

      Ab Initio Predictions of the Vibrational Spectra of Some Molecular Complexes: Comparison with Experiment (T. Ford).

      Conventional and Unconventional Hydrogen-Bonded Ionic Clusters (C. Deakyne).

      Protein-Ligand Interactions (G. Náray-Szabó).

      Indexes.

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